
 CHEMBL3641703

 40 42  0  0  0  0  0  0  0  0999 V2000
   -2.4870   -2.6372   -1.5567 C   0  0  0  0  0
   -1.3542   -3.2435   -0.7187 C   0  0  0  0  0
   -0.2944   -2.3076   -0.4724 O   0  0  0  0  0
   -0.7584   -1.0784    0.1328 C   0  0  0  0  0
   -1.9127   -0.4826   -0.7257 C   0  0  0  0  0
   -3.0382   -1.4174   -0.9406 N   0  0  0  0  0
   -1.0217   -1.2350    1.6298 C   0  0  0  0  0
   -0.3726   -2.2338    2.3737 C   0  0  0  0  0
   -0.5791   -2.3645    3.7537 C   0  0  0  0  0
   -1.4178   -1.4848    4.4451 C   0  0  0  0  0
   -2.0381   -0.4698    3.7107 C   0  0  0  0  0
   -1.8368   -0.3385    2.3311 C   0  0  0  0  0
   -1.6545   -1.6903    5.8192 N   0  0  0  0  0
   -2.6663   -1.2812    6.6125 C   0  0  0  0  0
   -2.5468   -1.1201    7.9344 N   0  0  0  0  0
   -3.7647   -0.7059    8.3292 N   0  0  0  0  0
   -4.6779   -0.6563    7.3215 C   0  0  0  0  0
   -3.9975   -1.0441    6.1914 C   0  0  0  0  0
   -3.9917   -0.3651    9.7157 C   0  0  0  0  0
   -4.2957   -1.5957   10.5290 C   0  0  0  0  0
   -4.3663   -1.2527   11.8430 F   0  0  0  0  0
   -5.5270   -2.0728   10.2035 F   0  0  0  0  0
   -2.1162   -2.3896   -2.5587 H   0  0  0  0  0
   -3.2895   -3.3718   -1.6824 H   0  0  0  0  0
   -0.9172   -4.0917   -1.2553 H   0  0  0  0  0
   -1.7370   -3.6256    0.2339 H   0  0  0  0  0
    0.0870   -0.3827    0.0596 H   0  0  0  0  0
   -2.3010    0.4472   -0.3000 H   0  0  0  0  0
   -1.5119   -0.2138   -1.7121 H   0  0  0  0  0
   -3.4174   -1.6679   -0.0248 H   0  0  0  0  0
    0.3010   -2.9325    1.8793 H   0  0  0  0  0
   -0.0831   -3.1758    4.2830 H   0  0  0  0  0
   -2.6609    0.2683    4.2099 H   0  0  0  0  0
   -2.3252    0.4950    1.8336 H   0  0  0  0  0
   -0.8186   -1.9893    6.3129 H   0  0  0  0  0
   -5.7084   -0.3736    7.4834 H   0  0  0  0  0
   -4.4102   -1.1505    5.2003 H   0  0  0  0  0
   -4.8261    0.3431    9.7566 H   0  0  0  0  0
   -3.1007    0.1490   10.0912 H   0  0  0  0  0
   -3.5613   -2.3980   10.4138 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  2 26  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 27  1  0  0  0
  5  6  1  0  0  0
  5 28  1  0  0  0
  5 29  1  0  0  0
  6 30  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 31  1  0  0  0
  9 10  2  0  0  0
  9 32  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 33  1  0  0  0
 12 34  1  0  0  0
 13 14  1  0  0  0
 13 35  1  0  0  0
 14 15  2  0  0  0
 14 18  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  2  0  0  0
 17 36  1  0  0  0
 18 37  1  0  0  0
 19 20  1  0  0  0
 19 38  1  0  0  0
 19 39  1  0  0  0
 20 22  1  0  0  0
 20 21  1  0  0  0
 20 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3641703

>  <PubChem CID>
68325626

>  <Formula>
C15H18F2N4O

>  <Molecular Weight>
308.333000

>  <IUPAC Name>
1-(2,2-difluoroethyl)-N-(4-morpholin-2-ylphenyl)pyrazol-3-amine

>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1COC(CN1)C2=CC=C(C=C2)NC3=NN(C=C3)CC(F)F

>  <Isomeric SMILES>
C1COC(CN1)C2=CC=C(C=C2)NC3=NN(C=C3)CC(F)F

>  <InChI Std. ID>
InChI=1S/C15H18F2N4O/c16-14(17)10-21-7-5-15(20-21)19-12-3-1-11(2-4-12)13-9-18-6-8-22-13/h1-5,7,13-14,18H,6,8-10H2,(H,19,20)

>  <InChI Key>
JOQMWJQZABZALY-UHFFFAOYSA-N

